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PDB: 34840 件

5COR
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X-RAY STRUCTURE OF MACROPHAGE INFLAMMATORY PROTEIN-1 ALPHA (CCL3) N-TERMINAL-SWITCH POLYMER
分子名称: ACETATE ION, C-C motif chemokine 3, HEXANE-1,6-DIOL
著者Liang, W.G, Tang, W.
登録日2015-07-20
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.548 Å)
主引用文献Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3.
Proc.Natl.Acad.Sci.USA, 113, 2016
6P49
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Cryo-EM structure of calcium-bound TMEM16F in nanodisc with supplement of PIP2 in Cl2
分子名称: Anoctamin-6, CALCIUM ION
著者Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y.
登録日2019-05-26
公開日2019-07-24
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling.
Cell Rep, 28, 2019
5U16
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Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR
分子名称: 2-hydroxynaphthalene-1-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ...
著者Keller, A.N, Birkinshaw, R.W, Rossjohn, J.
登録日2016-11-27
公開日2017-02-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
7AB1
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Crystal structure of MerTK kinase domain in complex with Gilteritinib
分子名称: 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J.
登録日2020-09-05
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
6P7K
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Structure of HMG-CoA reductase from Burkholderia cenocepacia
分子名称: 3-hydroxy-3-methylglutaryl coenzyme A reductase, ADENOSINE-5'-DIPHOSPHATE, COENZYME A
著者Walker, A.M, Peacock, R.B, Hicks, C.W, Dewing, S.M, Lewis, K.M, Abboud, J, Stewart, S.W.A, Kang, C, Watson, J.M.
登録日2019-06-05
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.722 Å)
主引用文献Structural and Functional Characterization of Dynamic Oligomerization in Burkholderia cenocepacia HMG-CoA Reductase.
Biochemistry, 58, 2019
6ISF
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Structure of 9N-I DNA polymerase incorporation with dT in the active site
分子名称: CALCIUM ION, DNA (5'-D(*AP*CP*AP*GP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3'), DNA (5'-D(P*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*CP*CP*T)-3'), ...
著者Linwu, S.W, Maestre-Reyna, M, Tsai, M.D, Tu, Y.H, Chang, W.H.
登録日2018-11-16
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Thermococcus sp. 9°N DNA polymerase exhibits 3'-esterase activity that can be harnessed for DNA sequencing.
Commun Biol, 2, 2019
5JUW
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complex of Dot1l with SS148
分子名称: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Yu, W, Tempel, W, Li, Y, Spurr, S.S, Bayle, E.D, Fish, P.V, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2016-05-10
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Complex of Dot1l with SS148
To Be Published
5OG6
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Cu nitrite reductase serial data at varying temperatures RT 0.24MGy
分子名称: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
登録日2017-07-11
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
7OR1
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Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60, conformation 1
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Grieben, M, Pike, A.C.W, Saward, B.G, Wang, D, Mukhopadhyay, S.M.M, Moreira, T, Chalk, R, MacLean, E.M, Marsden, B.D, Burgess-Brown, N.A, Bountra, C, Schofield, C.J, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2021-06-04
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60
TO BE PUBLISHED
8E9F
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WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10)
分子名称: 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide, BENZAMIDINE, WD repeat-containing protein 5
著者Rietz, T.A, Fesik, S.W.
登録日2022-08-26
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-based discovery of potent WD repeat domain 5 inhibitors that demonstrate efficacy and safety in preclinical animal models.
Proc.Natl.Acad.Sci.USA, 120, 2023
7RR0
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SARS-CoV-2 receptor binding domain bound to Fab PDI 222
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PDI 222 Fab Heavy Chain, PDI 222 Fab Light Chain, ...
著者Pymm, P, Glukhova, A, Black, K.A, Tham, W.H.
登録日2021-08-08
公開日2021-10-06
最終更新日2021-10-27
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain.
Cell Rep, 37, 2021
7OR0
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Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60, conformation 2
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Grieben, M, Pike, A.C.W, Saward, B.G, Wang, D, Mukhopadhyay, S.M.M, Moreira, T, Chalk, R, MacLean, E.M, Marsden, B.D, Burgess-Brown, N.A, Bountra, C, Schofield, C.J, Carpenter, E.P.
登録日2021-06-04
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60
To Be Published
6ISH
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BU of 6ish by Molmil
Structure of 9N-I DNA polymerase incorporation with 3'-AL in the active site
分子名称: CALCIUM ION, DNA (5'-D(*AP*CP*TP*GP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*CP*CP*(DAL))-3'), ...
著者Linwu, S.W, Maestre-Reyna, M, Tsai, M.D, Tu, Y.H, Chang, W.H.
登録日2018-11-16
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Thermococcus sp. 9°N DNA polymerase exhibits 3'-esterase activity that can be harnessed for DNA sequencing.
Commun Biol, 2, 2019
7AAX
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BU of 7aax by Molmil
Crystal structure of MerTK kinase domain in complex with LDC1267
分子名称: CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide
著者Schimpl, M, Pflug, A, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J.
登録日2020-09-05
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
6PID
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BU of 6pid by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 8-amino-N-hydroxyoctanamide
分子名称: 8-amino-N-hydroxyoctanamide, Acetylpolyamine amidohydrolase, MAGNESIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-26
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.546 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
7AB0
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Apo crystal structure of the MerTK kinase domain
分子名称: CHLORIDE ION, Tyrosine-protein kinase Mer
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J.
登録日2020-09-05
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
7P8N
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TmHydABC- T. maritima hydrogenase with bridge closed
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Fe-hydrogenase, ...
著者Furlan, C, Chongdar, N, Gupta, P, Lubitz, W, Ogata, H, Blaza, J.N, Birrell, J.A.
登録日2021-07-23
公開日2022-09-14
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural insight on the mechanism of an electron-bifurcating [FeFe] hydrogenase.
Elife, 11, 2022
7P91
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TmHydABC- T. maritima bifurcating hydrogenase with bridge domain closed
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Fe-hydrogenase, ...
著者Furlan, C, Chongdar, N, Gupta, P, Lubitz, W, Ogata, H, Blaza, J.N, Birrell, J.A.
登録日2021-07-23
公開日2022-09-14
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural insight on the mechanism of an electron-bifurcating [FeFe] hydrogenase.
Elife, 11, 2022
7P5H
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TmHydABC- D2 map
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Fe-hydrogenase, ...
著者Furlan, C, Chongdar, N, Gupta, P, Lubitz, W, Ogata, H, Blaza, J.N, Birrell, J.A.
登録日2021-07-14
公開日2022-09-14
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural insight on the mechanism of an electron-bifurcating [FeFe] hydrogenase.
Elife, 11, 2022
6P46
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Cryo-EM structure of TMEM16F in digitonin with calcium bound
分子名称: Anoctamin-6, CALCIUM ION
著者Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y.
登録日2019-05-26
公開日2019-07-24
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling.
Cell Rep, 28, 2019
6P47
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Cryo-EM structure of TMEM16F in digitonin without calcium
分子名称: Anoctamin-6
著者Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y.
登録日2019-05-26
公開日2019-07-24
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling.
Cell Rep, 28, 2019
1W9R
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BU of 1w9r by Molmil
Solution Structure of Choline Binding Protein A, Domain R2, the Major Adhesin of Streptococcus pneumoniae
分子名称: CHOLINE BINDING PROTEIN A
著者Luo, R, Mann, B, Lewis, W.S, Rowe, A, Heath, R, Stewart, M.L, Hamburger, A.E, Bjorkman, P.J, Sivakolundu, S, Lacy, E.R, Tuomanen, E, Kriwacki, R.W.
登録日2004-10-15
公開日2005-02-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of Choline Binding Protein A, the Major Adhesin of Streptococcus Pneumoniae
Embo J., 24, 2005
2WM8
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Crystal structure of human magnesium-dependent phosphatase 1 of the haloacid dehalogenase superfamily (MGC5987)
分子名称: 1,2-ETHANEDIOL, MAGNESIUM-DEPENDENT PHOSPHATASE 1
著者Yue, W.W, Shafqat, N, Pike, A.C.W, Chaikuad, A, Bray, J.E, Pilka, E.W, Burgess-Brown, N, Hapka, E, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
登録日2009-06-30
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Human Magnesium-Dependent Phosphatase 1 of the Haloacid Dehalogenase Superfamily (Mgc5987)
To be Published
4Z9M
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BU of 4z9m by Molmil
Crystal structure of human sarcomeric mitochondrial creatine kinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, Creatine kinase S-type, mitochondrial, ...
著者Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2015-04-10
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human sarcomeric mitochondrial creatine kinase
To Be Published
7RPV
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Crystal structure of affinity-enhancing and catalytically inactive ACE2 in complex with SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
著者Chen, Y, Tolbert, D.W, Pazgier, M.
登録日2021-08-04
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.54 Å)
主引用文献Engineered ACE2-Fc counters murine lethal SARS-CoV-2 infection through direct neutralization and Fc-effector activities.
Biorxiv, 2021

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